⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5523658 | 0.70 | MME (0.30) | — | |
| SCHEMBL8855129 | 0.66 | SLC6A4 (0.38) | — | |
| SCHEMBL28662555 | 0.66 | — | — | |
| SCHEMBL19448114 | 0.66 | — | — | |
| Water SCHEMBL9249099 | 0.65 | SLC6A4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9518731 | 0.65 | SLC6A4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9516633 | 0.65 | SLC6A4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9516649 | 0.65 | SLC6A4 (0.37) | — | |
| Water SCHEMBL9248189 | 0.65 | SLC6A4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9516757 | 0.65 | SLC6A4 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715680-B | Process for preparing high cis-1, 4-polydienes with lanthanide-based catalyst compositions | 株式会社普利司通 | 2021-10-19 | — | — | CN | disclosed |